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CS-W001157 4
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Methyl 2-(bromomethyl)-4-fluorobenzoate

  • CAS No. 157652-28-3

  • Cat. No. CS-0005240
  • Molecule weight247.06
  • Purity≥98%
  • MDL No.MFCD11505951

*For research and further manufacturing use only, not for direct human use.

Methyl 2-(bromomethyl)-4-fluorobenzoate|CS-0005240

Structure of 157652-28-3

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General Information

  • CAS No. 157652-28-3
  • Cat. No. CS-0005240
  • Purity ≥98%
  • MDL No. MFCD11505951
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrFO₂
  • Molecular Weight 247.06
  • Synonym(s) METHYL 2-BROMOMETHYL-4-FLUORO-BENZOATE
  • SMILES O=C(OC)C(C(CBr)=C1)=CC=C1F

Synthesis

  • Route1

    References

    • Corvas International, Inc. Patent: US6342504 B1, 2002 ; Location in patent: Page column 119 ; US 6342504 B1
  • Route2

    References

    • F. HOFFMANN-LA ROCHE AG; AEBI, Johannes; AMREIN, Kurt; CHEN, Wenming; HORNSPERGER, Benoit; KUHN, Bernd; LIU, Yongfu; MAERKI, Hans P.; MAYWEG, Alexander V.; MOHR, Peter; TAN, Xuefei; WANG, Zhanguo; ZHOU, Mingwei Patent: WO2013/79452 A1, 2013 ;
  • Route3
    • null|null
      21900-43-6
    • ~%
    • In-stock
      Methyl 2-(bromomethyl)-4-fluorobenzoate|CS-0005240
      157652-28-3

    References

    • PFIZER INC.; BAILEY, Simon; BURKE, Benjamin, Joseph; COLLINS, Michael, Raymond; CUI, Jingrong, Jean; DEAL, Judith, Gail; HOFFMAN, Robert, Louis; HUANG, Qinhua; JOHNSON, Ted, William; KANIA, Robert, Steven; KATH, John, Charles; LE, Phuong, Thi, Quy; MCTIGUE, Michele, Ann; PALMER, Cynthia, Louise; RICHARDSON, Paul, Francis; SACH, Neal, William Patent: WO2013/132376 A1, 2013 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.5072
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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